PUBCHEM-ZINC03755182 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.5420 0.8580 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.5090 -1.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -0.9030 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -0.0730 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -0.5670 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -1.8930 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -2.7590 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -2.2490 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -3.0640 -2.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -3.6710 -1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -4.1430 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -5.1120 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -6.2780 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -7.5540 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -8.4830 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -8.1710 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 -6.9130 -1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -5.9930 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -4.7110 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -4.2320 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -10.1970 0.5610 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -5.0250 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -4.9680 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -6.0670 3.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 1.0030 -2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 1.5140 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.1240 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 0.9670 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 0.0850 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -2.2370 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -4.3510 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.9230 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -4.2610 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -7.7960 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -8.9020 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -6.6650 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -5.9000 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -4.1530 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -3.8200 3.5160 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 39 -1 M END